N-[(1-Chloro-4-Hydroxy-3-Isoquinolinyl)Carbonyl]-L-Alanine

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Properties Simple | Detailed

Formula C13H11ClN2O4
IUPAC Name (2s)-2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]propanoic acid
Molecular Mass 294.690 g·mol−1
Heat of Formation -615.8 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 310.62 Å 3
Surface Area 290.26 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey QJWFWOUODUTVCE-LURJTMIESA-N
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Elements H C N O Cl